2-(9,9-dimethylfluoren-4-yl)-N-[3-(9,9-dimethylfluoren-3-yl)phenyl]-N-[4-(9,9-diphenylfluoren-3-yl)phenyl]aniline

C73H55N — CID 170142523

About 2-(9,9-dimethylfluoren-4-yl)-N-[3-(9,9-dimethylfluoren-3-yl)phenyl]-N-[4-(9,9-diphenylfluoren-3-yl)phenyl]aniline

2-(9,9-dimethylfluoren-4-yl)-N-[3-(9,9-dimethylfluoren-3-yl)phenyl]-N-[4-(9,9-diphenylfluoren-3-yl)phenyl]aniline (PubChem CID 170142523) has the molecular formula C73H55N and a molecular weight of 946.25 g/mol. Its IUPAC name is 2-(9,9-dimethylfluoren-4-yl)-N-[3-(9,9-dimethylfluoren-3-yl)phenyl]-N-[4-(9,9-diphenylfluoren-3-yl)phenyl]aniline.

Molecular Properties

• Compound Name: 2-(9,9-dimethylfluoren-4-yl)-N-[3-(9,9-dimethylfluoren-3-yl)phenyl]-N-[4-(9,9-diphenylfluoren-3-yl)phenyl]aniline
• PubChem CID: 170142523
• Molecular Formula: C73H55N
• Molecular Weight: 946.25 g/mol
• Exact Mass: 945.43
• IUPAC Name: 2-(9,9-dimethylfluoren-4-yl)-N-[3-(9,9-dimethylfluoren-3-yl)phenyl]-N-[4-(9,9-diphenylfluoren-3-yl)phenyl]aniline
• SMILES: CC1(C)c2ccccc2-c2cc(-c3cccc(N(c4ccc(-c5ccc6c(c5)-c5ccccc5C6(c5ccccc5)c5ccccc5)cc4)c4ccccc4-c4cccc5c4-c4ccccc4C5(C)C)c3)ccc21
• InChI: InChI=1S/C73H55N/c1-71(2)63-32-15-11-27-56(63)61-47-51(39-43-65(61)71)49-21-19-26-55(45-49)74(69-36-18-14-29-58(69)59-31-20-35-68-70(59)60-30-13-16-33-64(60)72(68,3)4)54-41-37-48(38-42-54)50-40-44-67-62(46-50)57-28-12-17-34-66(57)73(67,52-22-7-5-8-23-52)53-24-9-6-10-25-53/h5-47H,1-4H3
• InChIKey: OXCKVXLMYLSFBH-UHFFFAOYSA-N
• XLogP: 19.13
• TPSA: 3.24 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 8
• Heavy Atoms: 74
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	946.25
LogP ≤ 5	19.13
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Frequently Asked Questions

What is the IUPAC name of 2-(9,9-dimethylfluoren-4-yl)-N-[3-(9,9-dimethylfluoren-3-yl)phenyl]-N-[4-(9,9-diphenylfluoren-3-yl)phenyl]aniline?

The IUPAC name of 2-(9,9-dimethylfluoren-4-yl)-N-[3-(9,9-dimethylfluoren-3-yl)phenyl]-N-[4-(9,9-diphenylfluoren-3-yl)phenyl]aniline (CID 170142523) is 2-(9,9-dimethylfluoren-4-yl)-N-[3-(9,9-dimethylfluoren-3-yl)phenyl]-N-[4-(9,9-diphenylfluoren-3-yl)phenyl]aniline.

What is the SMILES notation for 2-(9,9-dimethylfluoren-4-yl)-N-[3-(9,9-dimethylfluoren-3-yl)phenyl]-N-[4-(9,9-diphenylfluoren-3-yl)phenyl]aniline?

The canonical SMILES for 2-(9,9-dimethylfluoren-4-yl)-N-[3-(9,9-dimethylfluoren-3-yl)phenyl]-N-[4-(9,9-diphenylfluoren-3-yl)phenyl]aniline is CC1(C)c2ccccc2-c2cc(-c3cccc(N(c4ccc(-c5ccc6c(c5)-c5ccccc5C6(c5ccccc5)c5ccccc5)cc4)c4ccccc4-c4cccc5c4-c4ccccc4C5(C)C)c3)ccc21.

What is the InChIKey of 2-(9,9-dimethylfluoren-4-yl)-N-[3-(9,9-dimethylfluoren-3-yl)phenyl]-N-[4-(9,9-diphenylfluoren-3-yl)phenyl]aniline?

The InChIKey is OXCKVXLMYLSFBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C73H55N/c1-71(2)63-32-15-11-27-56(63)61-47-51(39-43-65(61)71)49-21-19-26-55(45-49)74(69-36-18-14-29-58(69)59-31-20-35-68-70(59)60-30-13-16-33-64(60)72(68,3)4)54-41-37-48(38-42-54)50-40-44-67-62(46-50)57-28-12-17-34-66(57)73(67,52-22-7-5-8-23-52)53-24-9-6-10-25-53/h5-47H,1-4H3.

What are the key properties of 2-(9,9-dimethylfluoren-4-yl)-N-[3-(9,9-dimethylfluoren-3-yl)phenyl]-N-[4-(9,9-diphenylfluoren-3-yl)phenyl]aniline?

2-(9,9-dimethylfluoren-4-yl)-N-[3-(9,9-dimethylfluoren-3-yl)phenyl]-N-[4-(9,9-diphenylfluoren-3-yl)phenyl]aniline has a molecular weight of 946.25 g/mol, XLogP of 19.13, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(9,9-dimethylfluoren-4-yl)-N-[3-(9,9-dimethylfluoren-3-yl)phenyl]-N-[4-(9,9-diphenylfluoren-3-yl)phenyl]aniline is sourced from PubChem (CID 170142523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).